RuntimeError: Job process returned error code 1 Traceback (most recent call last): File "/usr/local/bin/run_openkim_job.py", line 546, in execute_in_place(runner, runner_driver, subject, subject_driver, env) File "/usr/local/bin/run_openkim_job.py", line 396, in execute_in_place raise RuntimeError(f"Job process returned error code {retcode}") RuntimeError: Job process returned error code 1 output/pipeline.stdout: ----------------------- number of parameter sets:1Parameter values for parameter set 0:['8.8322', '0.92905505', '0.22543399', '0.237367', '0.80470281', '0.027832008', '0.34302316', '0.54422361', '0.68146777', '0.020327607', '0.43685783', '0.73538731', '0.12007287', '0.24140582', '0.90173736', '0.44771302', '0.51906445', '0.88648135', '0.11225179', '0.53503528', '0.2091736', '0.4175276', '0.41034086']model name:Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000==== Building ASE atoms object with: ====representative atom symbols = ['Al', 'Al', 'Ca', 'Ca', 'Ca', 'O', 'O', 'O', 'O']representative atom coordinates = [[0.34302316 0.31519115 0.54422361] [0.02032761 0.33885984 0.43685783] [0. 0. 0.22543399] [0.33333333 0.66666667 0.737367 ] [0.33333333 0.66666667 0.30470281] [0.12007287 0.38468556 0.24140582] [0.44771302 0.54597566 0.51906445] [0.11225179 0.22577044 0.53503528] [0.4175276 0.208354 0.41034086]]spacegroup = 173cell = [[8.8322, 0, 0], [-4.4161, 7.6489095713049, 0], [0, 0, 8.2056]]========================================= output/pipeline.stderr: ----------------------- File "/usr/local/lib/python3.8/dist-packages/ase/atoms.py", line 788, in get_forces forces = self._calc.get_forces(self) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/abc.py", line 23, in get_forces return self.get_property('forces', atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/calculator.py", line 737, in get_property self.calculate(atoms, [name], system_changes) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 356, in calculate self.propagate(atoms, properties, system_changes, 0) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 379, in propagate self.initialise_lammps(atoms) File "/usr/local/lib/python3.8/dist-packages/ase/calculators/lammpslib.py", line 657, in initialise_lammps self.lmp.command('boundary ' + self.lammpsbc(atoms)) File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 581, in command self.lib.lammps_command(self.lmp,cmd) File "/usr/local/lib/python3.8/dist-packages/lammps/core.py", line 49, in __exit__ raise self.lmp._lammps_exceptionException: ERROR: Boundary command after simulation box is defined (src/input.cpp:1366)Command exited with non-zero status 1{"realtime":4.35,"usertime":4.22,"systime":12.37,"memmax":130468,"memavg":0} output/kim.log: --------------- 2023-11-15:16:03:29MST * 0 * information * 0x2684f40 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:03:29MST * 1 * information * 0x2684f40 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_Collections'.2023-11-15:16:03:29MST * 2 * information * 0_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2684f40'.2023-11-15:16:03:29MST * 3 * information * 0_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:03:29MST * 0 * information * 0x2684f40 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:03:29MST * 0 * information * 0x2685400 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:03:29MST * 1 * information * 0x2685400 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2684f40_Collections'.2023-11-15:16:03:29MST * 2 * information * 0x2684f40_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2685400'.2023-11-15:16:03:29MST * 3 * information * 0x2684f40_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:03:29MST * 1 * information * 0x2684f40 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-15:16:03:29MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2684f40'.2023-11-15:16:03:29MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:03:29MST * 0 * information * 0x2684f40 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:03:29MST * 0 * information * 0x25f4ef0 * KIM_LogImplementation.cpp:107 * Log object created. Default verbosity level is 'information'.2023-11-15:16:03:29MST * 1 * information * 0x25f4ef0 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0x2684f40_Collections'.2023-11-15:16:03:29MST * 2 * information * 0x2684f40_Collections * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x25f4ef0'.2023-11-15:16:03:29MST * 3 * information * 0x2684f40_Collections * KIM_LogImplementation.cpp:119 * Log object destroyed.2023-11-15:16:03:29MST * 1 * information * 0x2684f40 * KIM_LogImplementation.cpp:242 * Log object renamed. ID changed to '0_SimulatorModel'.2023-11-15:16:03:29MST * 2 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:246 * Log object renamed. ID changed from '0x2684f40'.2023-11-15:16:03:29MST * 3 * information * 0_SimulatorModel * KIM_LogImplementation.cpp:119 * Log object destroyed.